Benzene

Benzene

SCHEMBL2329769

O=S(=O)(Br)Br.c1ccccc1

nearest known ligand 0.35

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.35
TSHR P16473 2/20 0.33
TP53 P04637 1/20 0.33
ALDH1A1 P00352 1/20 0.32
HSD17B10 Q99714 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA3 P07451 1/20 0.32
CA4 P22748 1/20 0.32
CA6 P23280 1/20 0.32
CA5A P35218 1/20 0.32
CA7 P43166 1/20 0.32
PLA2G7 Q13093 1/20 0.32
CA9 Q16790 1/20 0.32
CA13 Q8N1Q1 1/20 0.32
CA14 Q9ULX7 1/20 0.32
CA5B Q9Y2D0 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL415976 0.82
Methane SCHEMBL322257 0.76
Naphthalene SCHEMBL11604909 0.71 CYP2A6 (0.57) HTR6TSHRALDH1A1HSD17B10TDP1
Ethane SCHEMBL2433111 0.71
Benzene SCHEMBL249062 0.67 CA5A (0.67) HTR6TSHRTP53ALDH1A1TDP1
Benzene SCHEMBL107628 0.67 ALDH1A1 (0.47) HTR6TSHRTP53ALDH1A1HSD17B10
Benzene SCHEMBL1470009 0.67 TSHR (0.42) HTR6TSHRTP53ALDH1A1HSD17B10
Benzene SCHEMBL10457003 0.67 CA1 (0.67) HTR6TSHRTP53CA12CA1
Benzene SCHEMBL6258462 0.67 CA1 (0.67) HTR6TSHRTP53CA12CA1
SCHEMBL9722581 0.67

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115044237-A Coating composition, preparation method thereof and coating 苏州北辰新材料科技有限公司 2022-09-13 CN claimed
CN-115044237-A Coating composition, preparation method thereof and coating 苏州北辰新材料科技有限公司 2022-09-13 CN disclosed
CN-103833723-B The manufacture method of cyclic sulfonic acid ester and intermediate thereof 和光纯药工业株式会社 2016-08-17 CN disclosed
CN-103833723-A METHOD FOR PRODUCING CYCLIC SULFONIC ACID ESTER AND INTERMEDIATE THEREOF WAKO PURE CHEM IND LTD 2014-06-04 CN disclosed
CN-102471305-B Process for producing cyclic sulfonic acid ester and intermediate thereof WAKO PURE CHEM IND LTD 2014-01-29 CN disclosed
CN-102471305-A Process for producing cyclic sulfonic acid ester and intermediate thereof WAKO PURE CHEM IND LTD 2012-05-23 CN disclosed
EP-1666483-B1 PROCESS FOR PRODUCING 3-CHLOROMETHYL-3-CEPHEM DERIVATIVE NIPPON CHEMICAL IND COMPANY LTD (JP) 2011-08-17 EP disclosed
US-7507812-B2 Process for producing 3-chloromethyl-3-cephem derivatives NIPPON CHEMICAL INDUSTRIAL CO., LTD. (JP) 2009-03-24 US disclosed
US-20070027313-A1 Reacting a 6-(1-aryloxycarbonyl-2-methallyl)thiazolineazetidinone with an arylsulfonyl halide to cleave the thiazole ring, chlorinating the methallyl group, and cyclizing the product with an alkali metat alcoholate in an ether to produce crystals of the cephem derivative NIPPON CHEMICAL INDUSTRIAL CO., LTD. (JP) 2007-02-01 US disclosed
EP-1666483-A1 PROCESS FOR PRODUCING 3-CHLOROMETHYL-3-CEPHEM DERIVATIVE NIPPON CHEMICAL INDUSTRIAL COMPANY LIMITED (JP) 2006-06-07 EP disclosed
CN-1537097-A Method for producing acid anhydride ��ʽ�����ɽ 2004-10-13 CN disclosed
CN-1125027-C Process for producing di-tert-butyl dicarbonate TOKUYAMA CORP (JP) 2003-10-22 CN disclosed
CN-1222504-A Process for producing di-tert-butyl dicarbonate TOKUYAMA CORP (JP) 1999-07-14 CN disclosed
EP-0114729-B1 PROCESS FOR PREPARING AZETIDINONE DERIVATIVES OTSUKA KAGAKU YAKUHIN KABUSHIKI KAISHA (JP) 1987-09-09 EP disclosed
US-4566996-A Process for preparing azetidinone derivatives Otsuke Kagaku Yakuhin Kabushiki Kaisha (JP) 1986-01-28 US disclosed
EP-0114729-A1 Process for preparing azetidinone derivatives OTSUKA KAGAKU YAKUHIN KABUSHIKI KAISHA (JP) 1984-08-01 EP disclosed
US-4128586-A Catalytic reduction of aromatic sulfonyl halides with hydrogen sulfide to yield aromatic thiols ALLIED CHEMICAL CORPORATION (US) 1978-12-05 US disclosed
US-4089865-A Certain thiazole compounds SYNTEX (U.S.A.) INC. (US) 1978-05-16 US disclosed
US-4001421-A THIAZOLE CARDIOVASCULAR AGENTS SYNTEX (U.S.A.) INC. (US) 1977-01-04 US disclosed
US-3982010-A Thiazole cardiovascular agents SYNTEX (U.S.A.) INC. (US) 1976-09-21 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20070027313-A1 Reacting a 6-(1-aryloxycarbonyl-2-methallyl)thiazolineazetidinone with an arylsulfonyl halide to cleave the thiazole ring, chlorinating the methallyl group, and cyclizing the product with an alkali metat alcoholate in an ether to produce crystals of the cephem derivative ADH5, ADH1A, ACR HTR6 1781/4885TSHR 1950/4885TP53 2092/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.